(2S)-2-(cyclohexylamino)-N-(3,5-dichlorophenyl)propanamide

C15H20Cl2N2O — CID 2493884

IUPAC(2S)-2-(cyclohexylamino)-N-(3,5-dichlorophenyl)propanamide
SMILESC[C@H](NC1CCCCC1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H20Cl2N2O/c1-10(18-13-5-3-2-4-6-13)15(20)19-14-8-11(16)7-12(17)9-14/h7-10,13,18H,2-6H2,1H3,(H,19,20)/t10-/m0/s1
InChIKeyNPKCKQSBTBEGPW-JTQLQIEISA-N
MW315.24 g/mol
LogP4.24
Rot. Bonds4

About (2S)-2-(cyclohexylamino)-N-(3,5-dichlorophenyl)propanamide

(2S)-2-(cyclohexylamino)-N-(3,5-dichlorophenyl)propanamide (PubChem CID 2493884) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is (2S)-2-(cyclohexylamino)-N-(3,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(cyclohexylamino)-N-(3,5-dichlorophenyl)propanamide
PubChem CID2493884
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name(2S)-2-(cyclohexylamino)-N-(3,5-dichlorophenyl)propanamide
SMILESC[C@H](NC1CCCCC1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H20Cl2N2O/c1-10(18-13-5-3-2-4-6-13)15(20)19-14-8-11(16)7-12(17)9-14/h7-10,13,18H,2-6H2,1H3,(H,19,20)/t10-/m0/s1
InChIKeyNPKCKQSBTBEGPW-JTQLQIEISA-N
XLogP4.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclohexylamino)-N-(3,5-dichlorophenyl)propanamide?
The IUPAC name of (2S)-2-(cyclohexylamino)-N-(3,5-dichlorophenyl)propanamide (CID 2493884) is (2S)-2-(cyclohexylamino)-N-(3,5-dichlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(cyclohexylamino)-N-(3,5-dichlorophenyl)propanamide?
The canonical SMILES for (2S)-2-(cyclohexylamino)-N-(3,5-dichlorophenyl)propanamide is C[C@H](NC1CCCCC1)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2S)-2-(cyclohexylamino)-N-(3,5-dichlorophenyl)propanamide?
The InChIKey is NPKCKQSBTBEGPW-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-10(18-13-5-3-2-4-6-13)15(20)19-14-8-11(16)7-12(17)9-14/h7-10,13,18H,2-6H2,1H3,(H,19,20)/t10-/m0/s1.
What are the key properties of (2S)-2-(cyclohexylamino)-N-(3,5-dichlorophenyl)propanamide?
(2S)-2-(cyclohexylamino)-N-(3,5-dichlorophenyl)propanamide has a molecular weight of 315.24 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexylamino)-N-(3,5-dichlorophenyl)propanamide is sourced from PubChem (CID 2493884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).